3-(2,2-dimethoxyethyl)-4-phenyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2,2-dimethoxyethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2,2-dimethoxyethyl)-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-(2,2-dimethoxyethyl)-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2,2-dimethoxyethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2,2-dimethoxyethyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C12H15N3O2S MolecularWeight: 265.3314

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=NNC(=S)N1C2=CC=CC=C2)OC

Isomeric SMILES

COC(CC1=NNC(=S)N1C2=CC=CC=C2)OC

InChI

InChI=1S/C12H15N3O2S/c1-16-11(17-2)8-10-13-14-12(18)15(10)9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3,(H,14,18)